3-(oxan-4-yloxy)thiolane-3-carboxylic acid

C10H16O4S — CID 82236612

IUPAC3-(oxan-4-yloxy)thiolane-3-carboxylic acid
SMILESO=C(O)C1(OC2CCOCC2)CCSC1
InChIInChI=1S/C10H16O4S/c11-9(12)10(3-6-15-7-10)14-8-1-4-13-5-2-8/h8H,1-7H2,(H,11,12)
InChIKeyZUJPAMRBLYSZQK-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.14
Rot. Bonds3

About 3-(oxan-4-yloxy)thiolane-3-carboxylic acid

3-(oxan-4-yloxy)thiolane-3-carboxylic acid (PubChem CID 82236612) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(oxan-4-yloxy)thiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-4-yloxy)thiolane-3-carboxylic acid
PubChem CID82236612
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name3-(oxan-4-yloxy)thiolane-3-carboxylic acid
SMILESO=C(O)C1(OC2CCOCC2)CCSC1
InChIInChI=1S/C10H16O4S/c11-9(12)10(3-6-15-7-10)14-8-1-4-13-5-2-8/h8H,1-7H2,(H,11,12)
InChIKeyZUJPAMRBLYSZQK-UHFFFAOYSA-N
XLogP1.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yloxy)thiolane-3-carboxylic acid?
The IUPAC name of 3-(oxan-4-yloxy)thiolane-3-carboxylic acid (CID 82236612) is 3-(oxan-4-yloxy)thiolane-3-carboxylic acid.
What is the SMILES notation for 3-(oxan-4-yloxy)thiolane-3-carboxylic acid?
The canonical SMILES for 3-(oxan-4-yloxy)thiolane-3-carboxylic acid is O=C(O)C1(OC2CCOCC2)CCSC1.
What is the InChIKey of 3-(oxan-4-yloxy)thiolane-3-carboxylic acid?
The InChIKey is ZUJPAMRBLYSZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c11-9(12)10(3-6-15-7-10)14-8-1-4-13-5-2-8/h8H,1-7H2,(H,11,12).
What are the key properties of 3-(oxan-4-yloxy)thiolane-3-carboxylic acid?
3-(oxan-4-yloxy)thiolane-3-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yloxy)thiolane-3-carboxylic acid is sourced from PubChem (CID 82236612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).